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Post MM/GBSA of top phytocompounds against S-ACE2 and Mpro.
| S.No | Compound name | ΔGbind (25 ns) | ΔGbind (50 ns) | ΔGbind (75 ns) | ΔGbind (100 ns) |
| S-ACE2 (6M0J) | |||||
| 1 | Beta-sitosterol | −16. 09 | −19.09 | −23.96 | −31.48 |
| 2 | Beta-elemene | −12.24 | −19.98 | −21.90 | −28.09 |
| Mpro (5R82) | |||||
| 3 | Beta-sitosterol | −9.24 | −16.55 | −29.09. | −36.01 |
| 4 | Beta-chlorogenin | −13.00 | −20.24 | −29.99 | −45.77 |
